CID 289973

5-bromo-2,4-dichloropyrimidine

Structural Information

Molecular Formula
C4HBrCl2N2
SMILES
C1=C(C(=NC(=N1)Cl)Cl)Br
InChI
InChI=1S/C4HBrCl2N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChIKey
SIKXIUWKPGWBBF-UHFFFAOYSA-N
Compound name
5-bromo-2,4-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3441
Patents

225.87003 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.87731 125.4
[M+Na]+ 248.85925 141.3
[M-H]- 224.86275 129.2
[M+NH4]+ 243.90385 146.5
[M+K]+ 264.83319 128.1
[M+H-H2O]+ 208.86729 126.5
[M+HCOO]- 270.86823 137.3
[M+CH3COO]- 284.88388 183.2
[M+Na-2H]- 246.84470 135.3
[M]+ 225.86948 146.1
[M]- 225.87058 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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